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Remove unused thole polarization rfac parameter
2018-12-22
Aleksei Iupinov
Add a sanity check for OpenCL devices
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2018-10-13
Aleksei Iupinov
Add and enable PME OpenCL
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2018-08-27
Aleksei Iupinov
Prepare pme-gpu-types.h for OpenCL
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2018-07-30
Aleksei Iupinov
Remove hardcoded warp_size == 32 assumption from PME GPU
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2018-06-25
Aleksei Iupinov
Move vectype_ops.clh into gpu_utils
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2018-06-25
Aleksei Iupinov
Move the PME GPU kernel launch functions into pme-gpu...
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2018-06-14
Aleksei Iupinov
Ensure PME with OpenCL does not attempt to pin
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2018-06-07
Aleksei Iupinov
Compile most of PME GPU host code with OpenCL
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2018-05-31
Aleksei Iupinov
Merge pme.cu into pme-gpu-internal.cpp
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2018-05-31
Aleksei Iupinov
PME OpenCL 3D FFT transform is implemented, using clFFT
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2018-05-31
Aleksei Iupinov
Move pme-timings.cu to pme-gpu-timings.cpp
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2018-05-31
Aleksei Iupinov
Prefer linking to system clFFT rather than bundled one
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2018-05-31
Aleksei Iupinov
Move the PmeGpuSpecific structure into pme-gpu-types...
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2018-05-31
Aleksei Iupinov
Added the bundled clFFT into OpenCL builds
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2018-05-31
Aleksei Iupinov
Add GpuEventSynchronizer class
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2018-05-31
Aleksei Iupinov
Gather the PME GPU constants/macros in a single header
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2018-05-30
Aleksei Iupinov
Make PME GPU structures use DeviceBuffer
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2018-05-28
Aleksei Iupinov
Support persistent device context-derived data in PME...
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2018-05-22
Aleksei Iupinov
Remove unused results of cudaStreamQuery()
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2018-05-18
Aleksei Iupinov
prepareGpuKernelArguments() and launchGpuKernel() are...
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2018-05-08
Aleksei Iupinov
Import clFFT library into the Gromacs source
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2018-05-04
Aleksei Iupinov
Add clearDeviceBufferAsync() for CUDA/OpenCL
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2018-05-03
Aleksei Iupinov
Copy missing GPU NB host deallocations from OpenCL...
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2018-05-03
Aleksei Iupinov
replace cu_copy_* calls with DeviceBuffer functions...
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2018-05-02
Aleksei Iupinov
Rename OpenCL host memory routines to match the CUDA...
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2018-04-27
Aleksei Iupinov
Make asize() a proper template function instead of...
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2018-04-27
Aleksei Iupinov
Rename the asize variable to numAlignmentAtoms
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2018-04-26
Aleksei Iupinov
Separate PME GPU host-only and host/device data structures
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2018-04-26
Aleksei Iupinov
Add copyFromDeviceBuffer() CUDA/OpenCL implementations
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2018-04-23
Aleksei Iupinov
Removed cu_realloc_buffered() in favor of reallocateDeviceBu...
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2018-04-23
Aleksei Iupinov
DeviceBuffer headers are added
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2018-04-12
Aleksei Iupinov
Make in-source OpenCL kernel path a per-module parameter
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2018-04-12
Aleksei Iupinov
Remove CUDA_FUNC macros from many functions in PME GPU
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2018-04-12
Aleksei Iupinov
Stop PME GPU code from compiling on non-CUDA builds
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2018-04-10
Aleksei Iupinov
Prevent OpenCL timing memory leak
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2018-03-20
Aleksei Iupinov
Clarify the mdrun GPU options docs
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2018-03-16
Aleksei Iupinov
Add a basic TPI sanity test
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2018-03-16
Aleksei Iupinov
Stop gmx_feenableexcept() from returning previous exception...
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2018-03-16
Aleksei Iupinov
Restore the lost mc_temp check in grompp
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2018-03-06
Aleksei Iupinov
Isolate PME GPU spline parameter indexing in inline...
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2018-03-05
Aleksei Iupinov
Stop using custom FindOpenCL.cmake, per TODO
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2018-03-05
Aleksei Iupinov
Correct the nbnxn_gpu_compile_kernels() docs
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2018-03-02
Aleksei Iupinov
Make TPI use double precision exp
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-26
Aleksei Iupinov
Advice users on infinite output of TPI
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2018-02-20
Aleksei Iupinov
Remove unused OpenCL debug buffer
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2018-02-18
Aleksei Iupinov
Replace *_free_buffered calls by freeDeviceBuffer
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2018-02-16
Aleksei Iupinov
Fix PME for large systems with Fermi GPUs
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2018-02-15
Aleksei Iupinov
Update FFTW build to 3.3.7
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2018-02-15
Aleksei Iupinov
Add freeDeviceBuffer GPU utility function
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2018-02-15
Aleksei Iupinov
Add the missing comma in the quote
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2018-02-14
Aleksei Iupinov
Replace the remaining EXPECT_DEATH with EXPECT_DEATH_IF_SUPP...
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2018-02-14
Aleksei Iupinov
Add DeviceBuffer as a typedef for cl_mem/device ponter
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2018-02-13
Aleksei Iupinov
Move GPU traits into separate headers
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2018-02-12
Aleksei Iupinov
Fix the include guard
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2018-02-09
Aleksei Iupinov
Revert "Enable debug FP exceptions without TPI, not...
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2018-02-08
Aleksei Iupinov
Always run the essential dynamics tests
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2018-02-08
Aleksei Iupinov
Enable debug FP exceptions without TPI, not with TPI
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-02-06
Aleksei Iupinov
Remove unnecessary includes from domdec.h
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2018-02-06
Aleksei Iupinov
Zero unused values to silence the warning
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2018-02-06
Aleksei Iupinov
Only setup Ewald in the generic group kernel if it...
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2018-02-05
Aleksei Iupinov
Make ndx files optional in SimulationRunner
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2018-02-05
Aleksei Iupinov
Remove mdpInputFileName_ from SimulationRunner, per...
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2018-02-02
Aleksei Iupinov
Don't print impossible CUDA version numbers in absence...
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2018-02-02
Aleksei Iupinov
Fix input MDP contents for swap and IMD tests
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2018-02-01
Aleksei Iupinov
Check for GTEST_IS_THREADSAFE being defined
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2018-01-24
Aleksei Iupinov
Remove unused fields per TODO
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2018-01-23
Aleksei Iupinov
Test the mixed mode PME with walls and box scaling
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2018-01-23
Aleksei Iupinov
Test PME CPU/GPU with walls and box scaling
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2018-01-23
Aleksei Iupinov
Wrap the PME testing loop in a method for extensibility
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2018-01-19
Aleksei Iupinov
Add a death test for the duplicate inputrec keys checking
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2018-01-19
Aleksei Iupinov
Rename class BiasReader to struct BiasOutputSetup
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2018-01-19
Aleksei Iupinov
Move the temporary file MPI workaround into the base...
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2018-01-19
Aleksei Iupinov
Make the reference data variables local in GetIrTest
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2018-01-19
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-18
Aleksei Iupinov
Got rid of manual memory management in the PME overlap...
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2018-01-18
Aleksei Iupinov
Re-enable multi-rank PME tests (with the file race...
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2018-01-17
Aleksei Iupinov
Fix box scaling in PME mixed mode
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2018-01-17
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-16
Aleksei Iupinov
Always write the input MDP file for testing just before...
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2018-01-11
Aleksei Iupinov
Move OctaneSandwich.mdp and spc2-IMD.mdp into strings
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2018-01-11
Aleksei Iupinov
Remove unused alanine_vsite.mdp
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2018-01-10
Aleksei Iupinov
Do not print PME counter breakdown if it's empty
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2017-12-20
Aleksei Iupinov
Set GMX_GPU_AUTO to FALSE with GMX_GPU defined
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2017-12-20
Aleksei Iupinov
Remove potentially wrong "per user request" note from...
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2017-12-07
Aleksei Iupinov
Relaxed precision in spline interpolation tests
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2017-12-06
Aleksei Iupinov
Provide dummy initialization to silence a warning
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2017-12-05
Aleksei Iupinov
Do not accept unsupported combination "-pme cpu -pmefft...
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2017-12-04
Aleksei Iupinov
Reformulate PME solving tests tolerances
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2017-11-28
Aleksei Iupinov
Replace of pmeGPU variable name with pmeGpu
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2017-11-27
Aleksei Iupinov
Do not force separate PME rank to recompute reciprocal...
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2017-11-27
Aleksei Iupinov
Disable failing separate PME rank tests
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2017-11-27
Aleksei Iupinov
Add tests for PME tuning and fix mixed PME mode with...
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2017-11-24
Aleksei Iupinov
Destroy PME GPU context
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2017-11-24
Aleksei Iupinov
Enable separate PME GPU rank
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2017-11-24
Aleksei Iupinov
Do not call mixed CPU+GPU PME mode "Hybrid"
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2017-11-24
Aleksei Iupinov
Activate mixed mode of PME on GPU
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2017-11-24
Aleksei Iupinov
Remove outdated (already implemented) pinning TODO
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2017-11-24
Aleksei Iupinov
Mention gmx_install_headers() in the developer manual
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